- InChI
- InChI=1S/C10H11NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2
- InChI Key
- UCANFCXAKYMFGA-UHFFFAOYSA-N
- Formula
- C10H11NO2
- SMILES
- C=CCOC(=O)c1ccccc1N
- Molecular Weight1
- 177.20
- CAS
- 7493-63-2
- Other Names
-
- Anthranilic acid, allyl ester
- Allyl anthranilate
- 2-Propenyl 2-aminobenzoate
- 2-Propen-1-yl anthranilate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5938 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -209.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.612 | Crippen Calculated Property | |
| McVol | 141.120 | ml/mol | McGowan Calculated Property |
| Pc | 3392.03 | kPa | Joback Calculated Property |
| Tboil | 563.86 | K | Relay (1.0) Calculated Property |
| Tc | 777.71 | K | Relay (1.0) Calculated Property |
| Tfus | 268.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.487 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.24; 398.60] | J/mol×K | [605.36; 832.15] | 
|
| Cp,gas | 336.24 | J/mol×K | 605.36 | Joback Calculated Property |
| Cp,gas | 348.55 | J/mol×K | 643.16 | Joback Calculated Property |
| Cp,gas | 360.07 | J/mol×K | 680.96 | Joback Calculated Property |
| Cp,gas | 370.81 | J/mol×K | 718.75 | Joback Calculated Property |
| Cp,gas | 380.79 | J/mol×K | 756.55 | Joback Calculated Property |
| Cp,gas | 390.05 | J/mol×K | 794.35 | Joback Calculated Property |
| Cp,gas | 398.60 | J/mol×K | 832.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-amino-, 2-propenyl ester.
Sources
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